2-[[(E)-1-[4-(2-bromanylphenoxy)phenyl]-3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(E)-1-[4-(2-bromanylphenoxy)phenyl]-3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[(E)-2-[4-(2-bromophenoxy)phenyl]-1-carboxy-vinyl]carbamoyl]benzoic acid CAS Name: 2-[[[(E)-1-[4-(2-bromophenoxy)phenyl]-3-hydroxy-3-oxoprop-1-en-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(E)-1-[4-(2-bromophenoxy)phenyl]-3-hydroxy-3-oxoprop-1-en-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[(E)-2-[4-(2-bromophenoxy)phenyl]-1-carboxy-vinyl]carbamoyl]benzoic acid Formula: C23H16BrNO6 MolecularWeight: 482.28024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3Br)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)OC3=CC=CC=C3Br)/C(=O)O)C(=O)O

InChI

InChI=1S/C23H16BrNO6/c24-18-7-3-4-8-20(18)31-15-11-9-14(10-12-15)13-19(23(29)30)25-21(26)16-5-1-2-6-17(16)22(27)28/h1-13H,(H,25,26)(H,27,28)(H,29,30)/b19-13+